6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one

C24H15ClFN3O — CID 137438014

IUPAC6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccnc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C24H15ClFN3O/c1-13-8-9-27-23-18(13)11-16(12-20(23)25)19-10-15-4-7-21(30)28-24(15)29-22(19)14-2-5-17(26)6-3-14/h2-12H,1H3,(H,28,29,30)
InChIKeySOPVHLDWDHCNRL-UHFFFAOYSA-N
MW415.86 g/mol
LogP5.91
Rot. Bonds2

About 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one

6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438014) has the molecular formula C24H15ClFN3O and a molecular weight of 415.86 g/mol. Its IUPAC name is 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438014
Molecular FormulaC24H15ClFN3O
Molecular Weight415.86 g/mol
Exact Mass415.09
IUPAC Name6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccnc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C24H15ClFN3O/c1-13-8-9-27-23-18(13)11-16(12-20(23)25)19-10-15-4-7-21(30)28-24(15)29-22(19)14-2-5-17(26)6-3-14/h2-12H,1H3,(H,28,29,30)
InChIKeySOPVHLDWDHCNRL-UHFFFAOYSA-N
XLogP5.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.86
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one (CID 137438014) is 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one is Cc1ccnc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is SOPVHLDWDHCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3O/c1-13-8-9-27-23-18(13)11-16(12-20(23)25)19-10-15-4-7-21(30)28-24(15)29-22(19)14-2-5-17(26)6-3-14/h2-12H,1H3,(H,28,29,30).
What are the key properties of 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 415.86 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-4-methylquinolin-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).